Analyte Name

Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yllidene)piperidine-2-ene-1-carboxyate

Molecular Formula

2 C22 H21 Cl N2 O2

Molecular Weight

761.735

Accurate Mass

760.258

SMILES

CCOC(=O)N1CC\C(=C\2/c3ccc(Cl)cc3CCc4cccnc24)\C=C1.CCOC(=O)N5CC\C(=C/6\c7ccc(Cl)cc7CCc8cccnc68)\C=C5

InChI

InChI=1S/2C22H21ClN2O2/c2*1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h2*3-4,7-9,11-12,14H,2,5-6,10,13H2,1H3/b20-15+;20-15-

IUPAC

ethyl (4E)-4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-2,3-dihydropyridine-1-carboxylate;ethyl (4Z)-4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-2,3-dihydropyridine-1-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat